9IOM

CapE apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	89.215, 89.215, 81.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.970 - 1.648
R-factor	0.205
Rwork	0.204
R-free	0.22660
Structure solution method	AB INITIO PHASING
RMSD bond length	0.006
RMSD bond angle	0.830
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.690
High resolution limit [Å]	1.648	4.070	1.650
Rmerge	0.087	0.066	1.113
Rmeas	0.089	0.069	1.142
Rpim	0.021	0.017	0.255
Number of reflections	45392	3201	2977
<I/σ(I)>	6.8
Completeness [%]	100.0	99.9	100
Redundancy	19	16	19.9
CC(1/2)	0.998	0.999	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M sodium acetate pH 4.5, 5% (w/v) PEG1000, 50% (v/v) ethylene glycol